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    Chemistry

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    Also known as: 69467-96-5, 9v8bvp5x5e, Unii-9v8bvp5x5e, 2,3-dihydrophthalazine-1,4-dione dihydrazone monomethanesulphonate, Einecs 274-013-7, Dihydralazine mesilate
    Molecular Formula
    C9H14N6O3S
    Molecular Weight
    286.31  g/mol
    InChI Key
    DRFCWYSGNDFNPW-UHFFFAOYSA-N
    FDA UNII
    9V8BVP5X5E
    Dihydralazine Mesylate
    1 2D Structure

    Dihydralazine Mesylate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4-hydrazinylphthalazin-1-yl)hydrazine;methanesulfonic acid
    2.1.2 InChI
    InChI=1S/C8H10N6.CH4O3S/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;1-5(2,3)4/h1-4H,9-10H2,(H,11,13)(H,12,14);1H3,(H,2,3,4)
    2.1.3 InChI Key
    DRFCWYSGNDFNPW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CS(=O)(=O)O.C1=CC=C2C(=C1)C(=NN=C2NN)NN
    2.2 Other Identifiers
    2.2.1 UNII
    9V8BVP5X5E
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 69467-96-5

    2. 9v8bvp5x5e

    3. Unii-9v8bvp5x5e

    4. 2,3-dihydrophthalazine-1,4-dione Dihydrazone Monomethanesulphonate

    5. Einecs 274-013-7

    6. Dihydralazine Mesilate

    7. Schembl2129435

    8. Dtxsid70219687

    9. Dihydralazine Mesilate [who-dd]

    10. Q27273269

    11. Phthalazine, 1,4-dihydrazinyl-, Methanesulfonate (1:1)

    12. Phthalazine, 1,4-dihydrazinyl-, Methanesulphonate (1:1)

    13. 1,4-phthalazinedione, 2,3-dihydro-, Dihydrazone, Monomethanesulfonate

    14. 1,4-phthalazinedione, 2,3-dihydro-, Dihydrazone, Monomethanesulphonate

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 286.31 g/mol
    Molecular Formula C9H14N6O3S
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count2
    Exact Mass286.08480950 g/mol
    Monoisotopic Mass286.08480950 g/mol
    Topological Polar Surface Area165 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity259
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    API Reference Price

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    18-Jan-2024
    11-Jun-2024
    KGS
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